CID 24035

Ucb 4268

Structural Information

Molecular Formula
C16H26N2
SMILES
CC(CNC)CN1CCCCCC2=CC=CC=C21
InChI
InChI=1S/C16H26N2/c1-14(12-17-2)13-18-11-7-3-4-8-15-9-5-6-10-16(15)18/h5-6,9-10,14,17H,3-4,7-8,11-13H2,1-2H3
InChIKey
OAQMWZHBXYUKEA-UHFFFAOYSA-N
Compound name
N,2-dimethyl-3-(3,4,5,6-tetrahydro-2H-1-benzazocin-1-yl)propan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

246.2096 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.21688 159.2
[M+Na]+ 269.19882 162.6
[M-H]- 245.20232 160.2
[M+NH4]+ 264.24342 166.8
[M+K]+ 285.17276 162.0
[M+H-H2O]+ 229.20686 154.7
[M+HCOO]- 291.20780 167.0
[M+CH3COO]- 305.22345 229.3
[M+Na-2H]- 267.18427 159.0
[M]+ 246.20905 157.6
[M]- 246.21015 157.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe